1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine

C14H25N3O2 — CID 116740457

IUPAC1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCCC(C)(OC)c1noc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-5-13(3,18-4)11-16-12(19-17-11)14(15)8-6-10(2)7-9-14/h10H,5-9,15H2,1-4H3
InChIKeyIEHSVXOERDPVEQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.71
Rot. Bonds4

About 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine

1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 116740457) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID116740457
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCCC(C)(OC)c1noc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-5-13(3,18-4)11-16-12(19-17-11)14(15)8-6-10(2)7-9-14/h10H,5-9,15H2,1-4H3
InChIKeyIEHSVXOERDPVEQ-UHFFFAOYSA-N
XLogP2.71
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540
[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442828
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 113391105
5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753280
1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 116701980
[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116704695
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116740641
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116740891
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116780982

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (CID 116740457) is 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is CCC(C)(OC)c1noc(C2(N)CCC(C)CC2)n1.
What is the InChIKey of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is IEHSVXOERDPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-13(3,18-4)11-16-12(19-17-11)14(15)8-6-10(2)7-9-14/h10H,5-9,15H2,1-4H3.
What are the key properties of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 116740457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).